⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24049299 | 0.95 | CYP1A2 (0.31) | — | |
| SCHEMBL22760623 | 0.75 | THRB (0.32) | — | |
| SCHEMBL11964795 | 0.75 | THRB (0.32) | — | |
| SCHEMBL10958345 | 0.75 | CYP1A2 (0.42) | — | |
| SCHEMBL21352713 | 0.72 | MAPK1 (0.31) | — | |
| SCHEMBL99517 | 0.72 | MAPK1 (0.31) | — | |
| SCHEMBL29365358 | 0.72 | MAPK1 (0.31) | — | |
| SCHEMBL19097571 | 0.71 | — | — | |
| SCHEMBL21578164 | 0.71 | ALDH1A1 (0.43) | — | |
| SCHEMBL23336419 | 0.71 | MAPK1 (0.49) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230293576-A1 | ANTIVIRAL POLYMERS | THE UNIVERSITY OF MANCHESTER (GB) | 2023-09-21 | — | — | US | disclosed |
| WO-2021234414-A1 | ANTIVIRAL POLYMERS | THE UNIVERSITY OF MANCHESTER (GB) | 2021-11-25 | — | — | WO | disclosed |